4-methyl-2-(pyrrolidin-1-yl)pentan-1-amine

• ChemBase ID: 254045
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(C(CC(C)C)CN)CCCC1
• Canonical SMILES: NCC(N1CCCC1)CC(C)C
• InChI: InChI=1S/C10H22N2/c1-9(2)7-10(8-11)12-5-3-4-6-12/h9-10H,3-8,11H2,1-2H3
• InChIKey: IDORZLCUHIXBTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(pyrrolidin-1-yl)pentan-1-amine
• IUPAC Traditional name: 4-methyl-2-(pyrrolidin-1-yl)pentan-1-amine
• Synonyms: 4-methyl-2-pyrrolidin-1-ylpentan-1-amine

Database IDs

• MDL Number: MFCD08444512
• PubChem SID: 164309955
• PubChem CID: 16228002

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5211782
• LogD (pH = 7.4): -1.4723473
• Log P: 1.4696683
• Molar Refractivity: 53.5713 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.09

Product Information

• Purity: 95%